methyl 4-[[4-[(Z)-2-cyano-2-quinolin-2-yl-ethenyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(Z)-2-cyano-2-quinolin-2-yl-ethenyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(Z)-2-cyano-2-(2-quinolyl)vinyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(Z)-2-cyano-2-(2-quinolinyl)ethenyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(Z)-2-cyano-2-quinolin-2-ylethenyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(Z)-2-cyano-2-(2-quinolyl)vinyl]phenoxy]methyl]benzoic acid methyl ester Formula: C27H20N2O3 MolecularWeight: 420.4593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H20N2O3/c1-31-27(30)22-10-6-20(7-11-22)18-32-24-13-8-19(9-14-24)16-23(17-28)26-15-12-21-4-2-3-5-25(21)29-26/h2-16H,18H2,1H3/b23-16+